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3-Methyl-1-((4-methylphenyl)sulfonyl)-5-hexen-2-one
SpectraBase Compound ID GWrCPSNhurF
InChI InChI=1S/C14H18O3S/c1-4-5-12(3)14(15)10-18(16,17)13-8-6-11(2)7-9-13/h4,6-9,12H,1,5,10H2,2-3H3
InChIKey VMQIRRZQMGYVQB-UHFFFAOYSA-N
Mol Weight 266.35 g/mol
Molecular Formula C14H18O3S
Exact Mass 266.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2xu6oct2BJ
Name 3-Methyl-1-((4-methylphenyl)sulfonyl)-5-hexen-2-one
Alternate Name(s) 3,4-Dimethyl-1-((4-methylphenyl)-sulfonyl)-4,5-hexadien-2-one
CAS Registry Number 123209-28-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3S
InChI InChI=1S/C14H18O3S/c1-4-5-12(3)14(15)10-18(16,17)13-8-6-11(2)7-9-13/h4,6-9,12H,1,5,10H2,2-3H3
InChIKey VMQIRRZQMGYVQB-UHFFFAOYSA-N
Molecular Weight 266.355 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C(=O)C(CC=C)C
SPLASH splash10-03di-5900000000-6a16db4eacfe5b9ca492
Source of Spectrum C-111-8888-3
Wiley ID 1269809